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MolNFT v1 · #30664 · protein

Crystal structure of a cross-linked actin dimer

2A5X · Actin, alpha skeletal muscle: “Crystal structure of a cross-linked actin dimer”. X-ray diffraction, 4 ligands (ANP, LAR, NSB), 2 pockets (best druggability 0.73). MolNFT v1 #30664 on GenesisL1: 3D structure, binding sites and…

PDB
2A5X
Type
protein
Length
342 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin, alpha skeletal muscle
UniProt
P68135
Ligands
ANP, LAR, NSB, CA
Pockets
2 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AActin, alpha skeletal muscleprotein34243% helix, 20% strandP68135

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
  • LAR · Latrunculin A · ligand · chains A
  • NSB · N,N,N-trimethyl-3-sulfopropan-1-aminium · ligand · chains A
  • CA · Calcium ion · metal · 2 copies · chains A
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13500.730.8548CA, ANP, LAR
21870.490.7629MPD

Compared structures

  • 2A5X · Crystal Structure of a Cross-linked Actin Dimer · the same entry in another collection · chain A against A, TM-score 1.00
  • P68135 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68135) · a predicted model of the same protein · chain A against A, TM-score 0.99

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